Information card for entry 2201348

Structure parameters

• Chemical name: 1-(2-Hydroxy-4,6-dimethoxy-3-methylphenyl)-3-(4-methoxyphenyl)- 2-methyl-1,3-propanedione
• Formula: C20 H22 O6
• Calculated formula: C20 H22 O6
• Title of publication: 1-(2-Hydroxy-4,6-dimethoxy-3-methylphenyl)-3-(4-methoxyphenyl)-2-methyl-1,3-propanedione
• Authors of publication: Stomberg, Rolf; Langer, Vratislav; Hauteville, Marcelle
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 10
• Pages of publication: o1116 - o1118
• a: 12.2304 ± 0.0002 Å
• b: 16.4299 ± 0.0002 Å
• c: 17.8325 ± 0.0002 Å
• α: 90°
• β: 93.999 ± 0.001°
• γ: 90°
• Cell volume: 3574.61 ± 0.08 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/c 1
• Hall space group symbol: -I 2yc
• Residual factor for all reflections: 0.0799
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1229
• Weighted residual factors for all reflections included in the refinement: 0.144
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes